SCHEMBL14192002

SCHEMBL14192002

COC(=O)c1cc(C2CC2)cnc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.47
DHODH Q02127 2/20 0.46
SSTR4 P31391 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
HDAC4 P56524 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
SSTR5 P35346 1/20 0.36
PRMT5 O14744 1/20 0.36
ACACB O00763 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17067782 0.83 OPRK1 (0.47) OPRK1DHODHSSTR4PDGFRBPDGFRA
SCHEMBL3724535 0.82 OPRK1 (0.47) OPRK1DHODHLMNAPOLBSMN1; SMN2
SCHEMBL17060339 0.82 OPRK1 (0.47) OPRK1DHODHGAALMNAPOLB
SCHEMBL28302362 0.81 DHODH (0.47) OPRK1DHODHPDGFRBPDGFRAMEN1
SCHEMBL23356288 0.80 DHODH (0.42) OPRK1DHODH
SCHEMBL30989954 0.80 OPRK1 (0.41) OPRK1DHODHPDGFRBPDGFRAGAA
SCHEMBL8325027 0.78 KDM4E (0.47) OPRK1GAAPOLBKDM4EALDH1A1
SCHEMBL25344029 0.77 PRMT5 (0.46) OPRK1PRMT5
SCHEMBL25280585 0.77 GAA (0.38) OPRK1DHODHGAAKMT2ALMNA
SCHEMBL15712249 0.77 OPRK1 (0.45) OPRK1PDGFRBPDGFRAKMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 US disclosed
US-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 OPRK1 603/4885DHODH 3234/4885SSTR4 3360/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.